UCSF

ZINC37873615

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 16 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.21 2.31 -8.55 2 4 0 59 288.141 6
Mid Mid (pH 6-8) 1.21 3.72 -48.25 3 4 1 63 289.149 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )